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dc.contributor.authorWilk, Leslie.en_US
dc.date.accessioned2009-07-09T17:31:19Z
dc.date.available2009-07-09T17:31:19Z
dc.date.issued1972-07-09T17:31:19Z
dc.identifier.urihttp://hdl.handle.net/10464/1741
dc.description.abstractExpressions for the anharmonic Helmholtz free energy contributions up to o( f ) ,valid for all temperatures, have been obtained using perturbation theory for a c r ystal in which every atom is on a site of inversion symmetry. Numerical calculations have been carried out in the high temperature limit and in the non-leading term approximation for a monatomic facecentred cubic crystal with nearest neighbour c entralforce interactions. The numbers obtained were seen to vary by a s much as 47% from thos e obtai.ned in the leading term approximati.on,indicating that the latter approximati on is not in general very good. The convergence to oct) of the perturbation series in the high temperature limit appears satisfactory.en_US
dc.language.isoengen_US
dc.publisherBrock Universityen_US
dc.subjectCrystal lattices.en_US
dc.subjectPerturbation (Quantum dynamics)en_US
dc.titleAnharmonic Helmholtz free energy to O(lambdaâ ´) in the non- leading term approximation /|nby Leslie Wilk. -- 260 St. Catharines, Ont. : [s. n.],en_US
dc.typeElectronic Thesis or Dissertationen_US
dc.degree.nameM.Sc. Chemistryen_US
dc.degree.levelMastersen_US
dc.contributor.departmentDepartment of Chemistryen_US
dc.degree.disciplineFaculty of Mathematics and Scienceen_US


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